Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts.

Houriez, Céline; Vallet, Valérie; Réal, Florent; Meot-Ner Mautner, Michael; Masella, Michel

Houriez, Céline; Vallet, Valérie; Réal, Florent; Meot-Ner Mautner, Michael; Masella, Michel.

Afiliação

Houriez C; CTP-Centre Thermodynamique des Procédés, MINES ParisTech, PSL Research University, 35 rue Saint-Honoré, 77300 Fontainebleau, France.
Vallet V; Université Lille, CNRS, UMR 8523-PhLAM-Physique des Lasers Atomes et Molécules, F-59000 Lille, France.
Réal F; Université Lille, CNRS, UMR 8523-PhLAM-Physique des Lasers Atomes et Molécules, F-59000 Lille, France.
Meot-Ner Mautner M; Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284-2006, USA and Department of Chemistry, University of Canterbury, Christchurch 8001, New Zealand.
Masella M; Laboratoire de Biologie Structurale et Radiobiologie, Service de Bioénergétique, Biologie Structurale et Mécanismes, Institut Joliot, CEA Saclay, F-91191 Gif sur Yvette Cedex, France.

J Chem Phys ; 147(16): 161720, 2017 Oct 28.

Article em En | MEDLINE | ID: mdl-29096445

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2017 Tipo de documento: Article País de afiliação: França País de publicação: Estados Unidos

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